C241-1317 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide

C241-1317 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide
C241-1317 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1317
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C241-1317

Molecular Formula

C25H20N4O5S (C25 H20 N4 O5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-{1-[(2-cyanophenyl)methyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}propanamide

SMILES

N#Cc1c(CN(c2c(C(N3CCC(NCc(cc4)cc5c4OCO5)=O)=O)scc2)C3=O)cccc1

InChI

InChI=1S/C25H20N4O5S/c26-12-17-3-1-2-4-18(17)14-29-19-8-10-35-23(19)24(31)28(25(29)32)9-7-22(30)27-13-16-5-6-20-21(11-16)34-15-33-20/h1-6,8,10-11H,7,9,13-15H2,(H,27,30)

InChI Key

KUXOUCZIBRZPKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.389

Distribution Coefficient, logD

3.389

Water Solubility, LogSw

-3.84

Polar Surface Area

90.907

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C241-1317 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C241-1317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1317?
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What is the minimum amount of C241-1317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1317
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C241-1317 available by request